SCHEMBL2265284

SCHEMBL2265284

O=C(Nc1cc(Cl)cnc1N1CCC(C(=O)N2CCCCCC2)CC1)c1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.59
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSP90AA1 P07900 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.44
MALT1 Q9UDY8 1/20 0.43
KCNMA1 Q12791 1/20 0.43
ADRB2 P07550 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2272624 0.99 CXCR3 (0.60) CXCR3MEN1KMT2AALDH1A1PLA2G1B
SCHEMBL2272797 0.91 CXCR3 (0.58) CXCR3MEN1KMT2AALDH1A1LMNA
SCHEMBL2263567 0.91 CXCR3 (0.55) CXCR3MEN1KMT2AALDH1A1PLA2G1B
SCHEMBL2276808 0.88 CXCR3 (0.63) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL2268986 0.87 CXCR3 (0.62) CXCR3MEN1KMT2AALDH1A1NPC1
SCHEMBL12516567 0.86 CXCR3 (0.57) CXCR3MEN1KMT2AALDH1A1NPC1
SCHEMBL2272627 0.86 CXCR3 (0.57) CXCR3MEN1KMT2AALDH1A1NPC1
SCHEMBL2272082 0.85 CXCR3 (0.60) CXCR3MEN1KMT2AALDH1A1NPC1
SCHEMBL2273229 0.85 CXCR3 (0.67) CXCR3MEN1KMT2ANPC1RAB9A
SCHEMBL2268259 0.83 CXCR3 (0.56) CXCR3MEN1KMT2AALDH1A1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US claimed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO claimed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885MEN1 3640/4885KMT2A 3936/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.